110-62-3
Valeraldehyde
CAS: 110-62-3
Molecular Formula: C5H10O
110-62-3 - Names and Identifiers
| Name | Valeraldehyde |
| Synonyms | Valeral Pentanal Valeraldehyde n-Valeraldehyde Valeric aldehyde Is valeraldehyde Natural Valeraldehyde Pentanal for synthesis Valeraldehyde, Pentaldehyde PENTANAL FOR SYNTHESIS 500 ML PENTANAL FOR SYNTHESIS 100 ML PentanalValeralValeric aldehyde |
| CAS | 110-62-3 |
| EINECS | 203-784-4 |
| InChI | InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
110-62-3 - Physico-chemical Properties
| Molecular Formula | C5H10O |
| Molar Mass | 86.13 |
| Density | 0.81g/mLat 25°C(lit.) |
| Melting Point | -92 °C |
| Boling Point | 103 °C |
| Flash Point | 54°F |
| JECFA Number | 89 |
| Water Solubility | 14 g/L (20 ºC) |
| Solubility | soluble in ethyl alcohol, ethyl ether, and other common organic solvents. |
| Vapor Presure | 36 hPa (20 °C) |
| Appearance | neat |
| Color | Colorless to Light yellow |
| Exposure Limit | TLV-TWA 175 mg/m3 (50 ppm) (ACGIHand OSHA). |
| Merck | 14,9902 |
| BRN | 1616304 |
| Storage Condition | Store at +2°C to +8°C. |
| Stability | Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, strong alkalies, strong reducing agents. |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.7-6.8%(V) |
| Refractive Index | n20/D 1.394(lit.) |
| Physical and Chemical Properties | Characteristic colorless, with a special flavor of the saturated liquid. vapor pressure 3.5kPa/20 ℃ relative density (Air = 1)2.96 stability stability |
| Use | Used as intermediates in organic synthesis, perfume raw materials and rubber accelerators |
110-62-3 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R38 - Irritating to the skin R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S33 - Take precautionary measures against static discharges. S39 - Wear eye / face protection. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2058 3/PG 2 |
| WGK Germany | 1 |
| RTECS | YV3600000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Note | Irritant/Flammable/Air Sensitive |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 5.66 ml/kg (Smyth) |
110-62-3 - Upstream Downstream Industry
| Raw Materials | pentanol |
110-62-3 - Nature
Open Data Verified Data
a colorless liquid with a special flavor. Relative density (di0) 0.8109. Boiling point 103 °c. Melting point 91. Flash point (Open Cup) 18 °c. Refractive index 3941. Viscosity 0.54MPA-s(20 deg C). Solubility in water 1. 35% (mass).
Last Update：2024-01-02 23:10:35
110-62-3 - Preparation Method
Open Data Verified Data
- n-amyl alcohol oxidation (gas phase oxidation at 550 °c; Liquid phase oxidation in the presence of Na2 Cr2 or and H2 S04).
- 1 butene carbonyl synthesis method 1 butene and synthesis gas under the reaction.
Last Update：2022-01-01 10:16:28
110-62-3 - Use
Open Data Verified Data
The main application is hydrogenation to pentanol and oxidation to pentanoic acid. It can also be used as a raw material for fragrances and rubber accelerators.
Last Update：2022-01-01 10:16:30
110-62-3 - Safety
Open Data Verified Data
- stimulation was weak, but it was narcotic. Rats were fed with LD50 5.66mg/kg. Production equipment should be closed. The workshop should be well ventilated. The operator should wear protective gear.
- valeraldehyde is easy to oxidize into acid, so the container and pipeline are required to be sealed during storage and transportation to prevent air oxidation. Because this product is flammable, the storage should be fire, sun protection. Foam, dry powder and carbon dioxide fire retardants can be used for fire extinguishing.
Last Update：2022-01-01 10:16:34
110-62-3 - Reference Information
| FEMA | 3098 | VALERALDEHYDE |
| olfactory Threshold | 0.00041ppm |
| LogP | 1.5 at 25℃ and pH7 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | valeraldehyde generally refers to N-valeraldehyde, which is an important intermediate in organic synthesis. It can be hydrogenated to N-pentanol and oxidized to N-valeric acid, in the presence of ammonia hydrogenation to produce N-pentylamine, condensation hydrogenation to produce 2-propylheptanol (2-PH) or decanol and other domestic and foreign demand strong chemicals. |
| Application | 45% of the world's pentanol is used in the production of dipentyl phosphate, it is the raw material of lubricating oil additive dipentyl sulfide phosphate; 18% amyl alcohol is used in the production of amyl acetate, which is an excellent solvent for coating and a component of a mixed solvent of nitrocellulose and cellulose acetate; Amyl alcohol and carbon disulfide, sodium hydroxide can be synthesized by the original yellow acid amyl Ester, is the extraction of metal flotation agent. |
| Use | valeric acid is mainly used for the production of synthetic grease together with polyols, such as pentaerythritol and trimethylolpropane; there are more than 30 kinds of specialty chemicals derived from valeric acid. For example, isoamyl valerate is a flavor and can also be used in cosmetics. N-valeraldehyde is an important intermediate in organic synthesis. Pentanol produced by hydrogenation of valeraldehyde can be used as a raw material dipentyl dithiophosphate for producing lubricating oil additives. Valeric acid produced by the oxidation of valeric aldehyde can be used as a raw material for the synthesis of cosmetics and fragrances. In addition, valeric acid can also react with Polyols to synthesize greases. Valeraldehyde is also a raw material for the synthesis of 2-propyl-1-heptanol (2-PH), which is a good organic solvent for the production of plasticizers and surfactants. used as intermediates in organic synthesis, raw materials of spices, etc. GB 2760-1996 is temporarily allowed to use the edible spices. The main application is hydrogenation to pentanol and oxidation to pentanoic acid. Raw materials for fragrances and rubber accelerators may also be used. used as intermediates in organic synthesis, perfume raw materials and rubber accelerator used as perfume, rubber (vulcanization) accelerator. |
| preparation | a method for preparing valeraldehyde by carbon tetrahydroformylation after ether, the specific steps are as follows: a) the Rhodium/diphosphite complex catalyst is prepared by mixing the Acetyl acetone carbonyl rhodium catalyst precursor with the bisphosphite ligand in a solvent; The molar ratio of the bisphosphite to the Rhodium is 0.5-10:1; The rhodium concentration is 50~500mg/L; B) the catalyst prepared according to step a) is added into the reaction kettle, first purged with high purity nitrogen and replaced with synthesis gas, then, after adding ether and C4, the reaction temperature is controlled at 50~100 ℃, and the synthesis gas is charged to the reaction pressure of 1 ~ 2MPa to start the timed reaction. The reaction time is 4-8 hours, and the reaction is stopped, cooled to room temperature; The synthesis gas is a mixture of hydrogen and carbon monoxide, and the molar ratio of hydrogen to carbon monoxide is 0.5 to 3:1. |
| content analysis | According to the determination of aldehyde hydroxylamine (OT-7-2), take 1g of sample, equivalent factor (e) 43.07. |
| toxicity | LD50 Orly in rats: 5.66/kg (Smyth) |
| usage limit | 64% FEMA(mgkg): Beverage 1.3; Ice cream 5.0; Candy 4.2; Baked goods 5.4. Moderate limits (FDA,§ 172.515,2000). |
| production method | 1. N-pentanol oxidation (gas phase oxidation at 550 °c; Liquid phase oxidation in the presence of Na2Cr2O7 and H2SO4). 1, 2-butene carbonylation process 1-Butene is reacted with synthesis gas (CO/H2) at 2.1-19.6 MPa, 29.4-170 °c. From the catalytic reduction of N-valeric acid. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 4581 mg/kg; Oral-mouse LD50: 6400 mg/kg |
| stimulation data | eyes-severe at 100 mg/24 h in rabbits; cutaneous-rabbit 500 mg/24 h moderate |
| explosive hazard characteristics | mixture with air, heat, open flame can be broken |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam |
| Occupational Standard | TWA 175 mg/m3; Tel 260 mg/m3 |
| spontaneous combustion temperature | 428 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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Raw Materials for 110-62-3